SCHEMBL17864169

SCHEMBL17864169

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7ccccc7c6ccc5c43)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
HPRT1 P00492 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
ATM Q13315 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2A6 P11509 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16303015 1.00 MAPT (0.42) MAPTLMNASMN1; SMN2NPC1RECQL
SCHEMBL24154009 0.95 MAPT (0.40) MAPTLMNASMN1; SMN2NPC1RECQL
SCHEMBL24157389 0.93 MAPT (0.38) MAPTLMNASMN1; SMN2NPC1RECQL
SCHEMBL17864164 0.92 MAPT (0.38) MAPTLMNASMN1; SMN2NPC1RECQL
SCHEMBL26007470 0.91 MAPT (0.36) MAPTLMNASMN1; SMN2NPC1RECQL
SCHEMBL24154654 0.91 MAPT (0.36) MAPTLMNASMN1; SMN2NPC1RECQL
SCHEMBL2754631 0.89 ATM (0.42) MAPTLMNAL3MBTL1ATMKDM4E
SCHEMBL12691007 0.89 MAPT (0.35) MAPTLMNASMN1; SMN2NPC1RECQL
SCHEMBL12691508 0.89 L3MBTL1 (0.44) MAPTLMNASMN1; SMN2NPC1RECQL
SCHEMBL24154003 0.88 MAPT (0.35) MAPTLMNASMN1; SMN2NPC1RECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed